2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine

C14H30N2 — CID 63938927

IUPAC2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCN(CC1CC1)C(CNC(C)C)C(C)C
InChIInChI=1S/C14H30N2/c1-6-16(10-13-7-8-13)14(11(2)3)9-15-12(4)5/h11-15H,6-10H2,1-5H3
InChIKeyJUPRMXJUNQFCMC-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds8

About 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine

2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 63938927) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID63938927
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCN(CC1CC1)C(CNC(C)C)C(C)C
InChIInChI=1S/C14H30N2/c1-6-16(10-13-7-8-13)14(11(2)3)9-15-12(4)5/h11-15H,6-10H2,1-5H3
InChIKeyJUPRMXJUNQFCMC-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propylbutane-1,2-diamine
CID 63938154
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62422151
2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62422016
2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62430407
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 63940866
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine
CID 62429335
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
2-N,3-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55174036
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-propylpropane-1,2-diamine
CID 63938140
2-N,2-N-diethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62438662
3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine
CID 107398113
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62431127

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine (CID 63938927) is 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine is CCN(CC1CC1)C(CNC(C)C)C(C)C.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is JUPRMXJUNQFCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-16(10-13-7-8-13)14(11(2)3)9-15-12(4)5/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine?
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 63938927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).