N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine

C12H26N2O — CID 62088427

IUPACN'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine
SMILESCCC(C)NCCNC1CCCC1OC
InChIInChI=1S/C12H26N2O/c1-4-10(2)13-8-9-14-11-6-5-7-12(11)15-3/h10-14H,4-9H2,1-3H3
InChIKeyIQTYJFLCNZFDNQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.53
Rot. Bonds7

About N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine

N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine (PubChem CID 62088427) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine
PubChem CID62088427
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine
SMILESCCC(C)NCCNC1CCCC1OC
InChIInChI=1S/C12H26N2O/c1-4-10(2)13-8-9-14-11-6-5-7-12(11)15-3/h10-14H,4-9H2,1-3H3
InChIKeyIQTYJFLCNZFDNQ-UHFFFAOYSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-methoxycyclopentan-1-amine
CID 62089078
cis-(1S,2R)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
CID 176752788
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
N-butan-2-yl-2-[(2-methoxycyclopentyl)amino]acetamide
CID 62087337
N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine
CID 81094779
1-N-(2-methoxycyclopentyl)-3-methylpentane-1,2-diamine
CID 62088069
N'-(2-methoxycyclopentyl)-2-methylbutane-1,4-diamine
CID 81080842
(2R)-1-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 106932046
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine
CID 79270926
2-methoxy-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43771411
2-methoxy-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclopentan-1-amine
CID 55067119

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine (CID 62088427) is N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine is CCC(C)NCCNC1CCCC1OC.
What is the InChIKey of N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine?
The InChIKey is IQTYJFLCNZFDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-10(2)13-8-9-14-11-6-5-7-12(11)15-3/h10-14H,4-9H2,1-3H3.
What are the key properties of N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine?
N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 62088427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).