N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine

C16H35N3 — CID 63274496

IUPACN-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
SMILESCN(CCCCCNC(C)(C)C)CC1CCN(C)C1
InChIInChI=1S/C16H35N3/c1-16(2,3)17-10-7-6-8-11-18(4)13-15-9-12-19(5)14-15/h15,17H,6-14H2,1-5H3
InChIKeyPNZCAGIPOFRKJQ-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds8

About N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine

N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine (PubChem CID 63274496) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
PubChem CID63274496
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
SMILESCN(CCCCCNC(C)(C)C)CC1CCN(C)C1
InChIInChI=1S/C16H35N3/c1-16(2,3)17-10-7-6-8-11-18(4)13-15-9-12-19(5)14-15/h15,17H,6-14H2,1-5H3
InChIKeyPNZCAGIPOFRKJQ-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 55172392
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63707835
2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788799
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
CID 79360191
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 63274728
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine
CID 106799840
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276040
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788794

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine (CID 63274496) is N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine is CN(CCCCCNC(C)(C)C)CC1CCN(C)C1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine?
The InChIKey is PNZCAGIPOFRKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-16(2,3)17-10-7-6-8-11-18(4)13-15-9-12-19(5)14-15/h15,17H,6-14H2,1-5H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine?
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine is sourced from PubChem (CID 63274496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).