N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine

C13H28N2O — CID 118055067

IUPACN'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine
SMILESCCCCOCNCCCCNCC1CC1
InChIInChI=1S/C13H28N2O/c1-2-3-10-16-12-15-9-5-4-8-14-11-13-6-7-13/h13-15H,2-12H2,1H3
InChIKeyJZRBBNORUDMJFW-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.13
Rot. Bonds12

About N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine

N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine (PubChem CID 118055067) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine
PubChem CID118055067
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine
SMILESCCCCOCNCCCCNCC1CC1
InChIInChI=1S/C13H28N2O/c1-2-3-10-16-12-15-9-5-4-8-14-11-13-6-7-13/h13-15H,2-12H2,1H3
InChIKeyJZRBBNORUDMJFW-UHFFFAOYSA-N
XLogP2.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine
CID 82223866
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-[(4-ethylcyclohexyl)methyl]decan-1-amine
CID 63492900
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
CID 43130311
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 62542657
N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497

Frequently Asked Questions

What is the IUPAC name of N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine?
The IUPAC name of N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine (CID 118055067) is N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine.
What is the SMILES notation for N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine?
The canonical SMILES for N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine is CCCCOCNCCCCNCC1CC1.
What is the InChIKey of N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine?
The InChIKey is JZRBBNORUDMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-2-3-10-16-12-15-9-5-4-8-14-11-13-6-7-13/h13-15H,2-12H2,1H3.
What are the key properties of N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine?
N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 2.13, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(butoxymethyl)-N-(cyclopropylmethyl)butane-1,4-diamine is sourced from PubChem (CID 118055067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).